COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445834
Chemical Name: 4-(1,3-benzodioxol-5-yl)-5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Smiles: Fc1ccc(c(c1)Cl)CSCc1nnc(n1c1ccc2c(c1)OCO2)S

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Molecular Weight: 409.89
Empirical Formula: C17H13ClFN3O2S2

Physical State: Dry powder
Available Amount: 650 mg

Lipinsky:
logP: 5.297
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 4

     

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